{"id":"https://openalex.org/W3031376045","doi":"https://doi.org/10.1186/s13321-020-00433-8","title":"The diatomic molecular spectroscopy database","display_name":"The diatomic molecular spectroscopy database","publication_year":2020,"publication_date":"2020-05-11","ids":{"openalex":"https://openalex.org/W3031376045","doi":"https://doi.org/10.1186/s13321-020-00433-8","mag":"3031376045","pmid":"https://pubmed.ncbi.nlm.nih.gov/33430968"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-020-00433-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00433-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-020-00433-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-020-00433-8","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064432806","display_name":"Xiangyue Liu","orcid":"https://orcid.org/0000-0003-4463-8068"},"institutions":[{"id":"https://openalex.org/I2800875726","display_name":"Fritz Haber Institute of the Max Planck Society","ror":"https://ror.org/03k9qs827","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I2800875726"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Xiangyue Liu","raw_affiliation_strings":["Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany"],"raw_orcid":"https://orcid.org/0000-0003-4463-8068","affiliations":[{"raw_affiliation_string":"Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany","institution_ids":["https://openalex.org/I2800875726"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042327171","display_name":"Stefan Truppe","orcid":"https://orcid.org/0000-0002-0121-6538"},"institutions":[{"id":"https://openalex.org/I2800875726","display_name":"Fritz Haber Institute of the Max Planck Society","ror":"https://ror.org/03k9qs827","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I2800875726"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Stefan Truppe","raw_affiliation_strings":["Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany","institution_ids":["https://openalex.org/I2800875726"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040038977","display_name":"Gerard Meijer","orcid":"https://orcid.org/0000-0001-9669-8340"},"institutions":[{"id":"https://openalex.org/I2800875726","display_name":"Fritz Haber Institute of the Max Planck Society","ror":"https://ror.org/03k9qs827","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I2800875726"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Gerard Meijer","raw_affiliation_strings":["Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany","institution_ids":["https://openalex.org/I2800875726"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003474105","display_name":"Jes\u00fas P\u00e9rez\u2010R\u00edos","orcid":"https://orcid.org/0000-0001-9491-9859"},"institutions":[{"id":"https://openalex.org/I2800875726","display_name":"Fritz Haber Institute of the Max Planck Society","ror":"https://ror.org/03k9qs827","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I2800875726"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Jes\u00fas P\u00e9rez-R\u00edos","raw_affiliation_strings":["Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany. jperezri@fhi-berlin.mpg.de","Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany. jperezri@fhi-berlin.mpg.de","institution_ids":["https://openalex.org/I2800875726"]},{"raw_affiliation_string":"Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany","institution_ids":["https://openalex.org/I2800875726"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5003474105"],"corresponding_institution_ids":["https://openalex.org/I2800875726"],"apc_list":{"value":2000,"currency":"USD","value_usd":2000},"apc_paid":{"value":2000,"currency":"USD","value_usd":2000},"fwci":2.663,"has_fulltext":true,"cited_by_count":42,"citation_normalized_percentile":{"value":0.90727151,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"12","issue":"1","first_page":"31","last_page":"31"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10425","display_name":"Cold Atom Physics and Bose-Einstein Condensates","score":0.5587999820709229,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10425","display_name":"Cold Atom Physics and Bose-Einstein Condensates","score":0.5587999820709229,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T14363","display_name":"Optical properties and cooling technologies in crystalline materials","score":0.17730000615119934,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11111","display_name":"Spectroscopy and Laser Applications","score":0.08229999989271164,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/diatomic-molecule","display_name":"Diatomic molecule","score":0.8311142921447754},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.641713559627533},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.6167029738426208},{"id":"https://openalex.org/keywords/upload","display_name":"Upload","score":0.6115856170654297},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.49520865082740784},{"id":"https://openalex.org/keywords/user-friendly","display_name":"User Friendly","score":0.48464447259902954},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.4837329685688019},{"id":"https://openalex.org/keywords/license","display_name":"License","score":0.4760065972805023},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.328726202249527},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2390824258327484},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.12691116333007812},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.10269179940223694}],"concepts":[{"id":"https://openalex.org/C111806078","wikidata":"https://www.wikidata.org/wiki/Q1751859","display_name":"Diatomic molecule","level":3,"score":0.8311142921447754},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.641713559627533},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.6167029738426208},{"id":"https://openalex.org/C71901391","wikidata":"https://www.wikidata.org/wiki/Q7126699","display_name":"Upload","level":2,"score":0.6115856170654297},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.49520865082740784},{"id":"https://openalex.org/C61437842","wikidata":"https://www.wikidata.org/wiki/Q281291","display_name":"User Friendly","level":2,"score":0.48464447259902954},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.4837329685688019},{"id":"https://openalex.org/C2780560020","wikidata":"https://www.wikidata.org/wiki/Q79719","display_name":"License","level":2,"score":0.4760065972805023},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.328726202249527},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2390824258327484},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.12691116333007812},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.10269179940223694}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-020-00433-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00433-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-020-00433-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:33430968","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33430968","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of cheminformatics","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7216551","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7216551","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:aff05da3d6fa4b19b27c4011cced47de","is_oa":true,"landing_page_url":"https://doaj.org/article/aff05da3d6fa4b19b27c4011cced47de","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-8 (2020)","raw_type":"article"},{"id":"pmh:oai:pure.mpg.de:item_3230878","is_oa":true,"landing_page_url":"http://hdl.handle.net/21.11116/0000-0006-6614-1","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1186/s13321-020-00433-8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00433-8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-020-00433-8","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","score":0.46000000834465027,"display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3031376045.pdf","grobid_xml":"https://content.openalex.org/works/W3031376045.grobid-xml"},"referenced_works_count":10,"referenced_works":["https://openalex.org/W1575990399","https://openalex.org/W2002929378","https://openalex.org/W2046002177","https://openalex.org/W2052372639","https://openalex.org/W2073125394","https://openalex.org/W2123148422","https://openalex.org/W2762585259","https://openalex.org/W2887215908","https://openalex.org/W2956374161","https://openalex.org/W3098025692"],"related_works":["https://openalex.org/W1040118206","https://openalex.org/W2391145968","https://openalex.org/W2606446052","https://openalex.org/W2361826783","https://openalex.org/W2067229394","https://openalex.org/W2016660140","https://openalex.org/W2054021433","https://openalex.org/W2354611255","https://openalex.org/W1591139189","https://openalex.org/W2032004148"],"abstract_inverted_index":{"MOTIVATION:":[0],"The":[1,138,222],"spectroscopy":[2],"of":[3,44,114,122,216],"diatomic":[4,58,124],"molecules":[5,125,242],"is":[6,27,140,187],"an":[7],"important":[8],"research":[9],"area":[10],"in":[11,18,37,104,135,213,229],"chemical":[12,237],"physics":[13,238],"due":[14],"to":[15,63,205,240],"its":[16],"relevance":[17],"astrochemistry,":[19],"combustion":[20],"chemistry,":[21],"and":[22,74,84,101,118,131,167,181,202,233],"ultracold":[23],"physics.":[24],"However,":[25],"there":[26],"currently":[28],"no":[29],"database":[30,164],"where":[31,94],"the":[32,41,53,77,95,111,115,123,129,143,153,158,163,170,174,177,190,206,214,217,236],"user":[33,96,178],"can":[34,97,132,179],"easily":[35],"retrieve,":[36],"a":[38,45,60,90,230],"useful":[39,105],"format,":[40],"spectroscopic":[42,99,112,248],"constants":[43,100,113],"given":[46],"molecule.":[47],"A":[48],"similar":[49],"situation":[50],"appears":[51],"concerning":[52],"vibrational":[54],"Franck-Condon":[55,102],"factors":[56,103],"for":[57,68,173],"molecules,":[59],"crucial":[61],"parameter":[62],"infer":[64],"laser":[65],"cooling":[66],"prospects":[67],"molecules.":[69],"To":[70],"address":[71],"this":[72,109],"problem,":[73],"inspired":[75],"by":[76],"idea":[78],"that":[79,243],"data":[80],"should":[81,244],"be":[82,133,245],"open":[83,203],"freely":[85],"accessible,":[86],"we":[87],"have":[88],"developed":[89],"user-friendly":[91,231],"website":[92,130,139,225],"(https://rios.mp.fhi.mpg.de)":[93],"retrieve":[98],"formats.":[106,137],"IMPLEMENTATION:":[107],"In":[108,148],"database,":[110],"ground":[116],"states":[117,121],"first":[119],"excited":[120],"are":[126],"accessible":[127],"from":[128],"retrieved":[134],"readable":[136],"implemented":[141],"within":[142],"LAMP":[144],"web":[145],"service":[146],"stacks.":[147],"particular,":[149],"using":[150],"Linux":[151],"as":[152,157,162,169,208,210],"operative":[154],"system,":[155,166],"Apache":[156,196],"HTTP":[159],"Server,":[160],"MySQL":[161],"management":[165],"PHP":[168],"programming":[171],"language":[172],"web.":[175],"Furthermore,":[176],"register":[180],"upload":[182],"new":[183],"data.":[184],"This":[185],"project":[186],"licensed":[188],"under":[189],"Free-Libre/Open":[191],"Source":[192],"Software":[193],"(FLOSS)":[194],"license":[195],"License":[197],"2.0":[198],"which":[199],"allows":[200],"free":[201],"access":[204],"codes":[207],"well":[209],"efficient":[211],"collaboration":[212],"maintenance":[215],"software.":[218],"CONCLUSIONS":[219],"AND":[220],"IMPACT:":[221],"present":[223],"data-driven":[224],"presents":[226],"essential":[227],"information":[228],"manner":[232],"may":[234],"help":[235],"community":[239],"identify":[241],"explored":[246],"through":[247],"techniques.":[249]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":12},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":1}],"updated_date":"2026-08-28T12:50:07.497085","created_date":"2025-10-10T00:00:00"}